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Compound Detail

CHEMBL3335466

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O=S(=O)(NC1CCN(Cc2ccncc2)CC1)c1ccc(-n2cccn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335466
Phase Preclinical
Structure Type MOL
InChI Key IGJNWDSSVRBHHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
2.21
ALogP
6
HBA
1
HBD
80.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N5O2S
MW 397.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.41

Literature References

PubMed DOI Target Context # Activities
25221657 10.1021/ml5001933 Mycobacterium tuberculosis 11
25221657 10.1021/ml5001933 Unchecked 3
25221657 10.1021/ml5001933 No relevant target 2
25221657 10.1021/ml5001933 Escherichia coli 1
25221657 10.1021/ml5001933 Haemophilus influenzae 1
25221657 10.1021/ml5001933 Pseudomonas aeruginosa 1
25221657 10.1021/ml5001933 Klebsiella pneumoniae 1
25221657 10.1021/ml5001933 Staphylococcus aureus 1
25221657 10.1021/ml5001933 Streptococcus pneumoniae 1
25221657 10.1021/ml5001933 THP-1 1
25221657 10.1021/ml5001933 Enoyl-[acyl-carrier-protein] reductase [NADH] 1
25221657 10.1021/ml5001933 DNA gyrase subunit A/DNA gyrase subunit B 1
25221657 10.1021/ml5001933 Mycolicibacterium smegmatis 1

Data from ChEMBL 36 via Core Engine